SCHEMBL21723006

SCHEMBL21723006

O=C(O)N1CC[C@H](OCc2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
BCHE P06276 3/20 0.47
CNR1 P21554 1/20 0.44
NAAA Q02083 2/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
GRM5 P41594 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5809457 1.00 CARM1 (0.49) CARM1PRMT6BCHECNR1NAAA
SCHEMBL2525766 0.87 GRIN2D (0.52) CARM1PRMT6BCHENAAALIPG
SCHEMBL2526379 0.87 GRIN2D (0.52) CARM1PRMT6BCHENAAALIPG
SCHEMBL18426023 0.87 GRIN2D (0.52) CARM1PRMT6BCHENAAALIPG
SCHEMBL21638171 0.86 LIPG (0.55) CARM1PRMT6BCHECNR1NAAA
SCHEMBL16600673 0.86 LIPG (0.55) CARM1PRMT6BCHECNR1NAAA
SCHEMBL2458433 0.83 DRD4 (0.51) FAAHMGLLLIPG
SCHEMBL654435 0.82 STS (0.49) CARM1PRMT6ALDH1A1SMN1; SMN2NPSR1
SCHEMBL651653 0.82 STS (0.49) CARM1PRMT6ALDH1A1SMN1; SMN2NPSR1
SCHEMBL651652 0.82 STS (0.49) CARM1PRMT6ALDH1A1SMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed